#------------------------------------------------------------------------------ #$Date: 2017-08-05 08:54:07 +0300 (Sat, 05 Aug 2017) $ #$Revision: 199555 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/08/2020842.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2020842 _cell_angle_alpha 90.000 _cell_angle_beta 118.466 _cell_angle_gamma 90.000 _cell_length_a 9.3455 _cell_length_b 13.1854 _cell_length_c 9.2185 _exptl_crystal_F_000 888.00 _reflns_d_resolution_high 0.7254 _cod_data_source_file uk3135Isup2.hkl _cod_data_source_block I _shelx_title ' SS in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 451.45 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 2 0 0 40841.16 39761.28 1564.82 o 3 0 0 12182.60 14623.58 1106.35 o 4 0 0 56.05 84.33 69.71 o 5 0 0 13452.01 18503.98 908.11 o 6 0 0 1678.57 1725.61 256.06 o 7 0 0 178.46 393.49 146.33 o 8 0 0 1376.92 1471.64 291.39 o 9 0 0 13.37 -78.63 113.71 o 10 0 0 6768.70 10245.09 1298.45 o 2 1 0 139.34 169.57 41.43 o 3 1 0 12308.70 10003.25 815.53 o 4 1 0 50050.41 45611.23 2460.09 o 5 1 0 2063.10 2544.67 270.96 o 6 1 0 25901.86 34612.30 917.25 o 7 1 0 10553.25 14195.33 611.10 o 8 1 0 10.37 24.64 38.34 o 9 1 0 306.22 429.90 188.68 o 10 1 0 46.81 85.96 173.34 o 2 2 0 1770.99 1689.41 103.99 o 3 2 0 17630.93 19887.02 515.03 o 4 2 0 882.15 736.05 116.37 o 5 2 0 8261.05 5432.86 373.53 o 6 2 0 960.52 739.14 150.52 o 7 2 0 3133.48 4122.29 324.14 o 8 2 0 355.74 345.16 129.25 o 9 2 0 616.75 633.82 168.05 o 10 2 0 136.26 30.30 174.67 o 1 3 0 65296.99 63334.84 601.92 o 2 3 0 2218.53 2145.82 154.59 o 3 3 0 1085.72 1017.46 98.50 o 4 3 0 24403.09 24895.92 897.92 o 5 3 0 3238.70 3290.45 262.32 o 6 3 0 12321.10 7651.62 454.99 o 7 3 0 2435.13 2237.88 295.16 o 8 3 0 21.93 178.81 108.98 o 9 3 0 862.36 1160.06 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